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CHEBI:216020 - 2-(2′, 3′-dihydrosorbyl)-3,6-dimethyl-5-hydroxy-1,4-benzoquinone

ChEBI IDCHEBI:216020
ChEBI Name2-(2′, 3′-dihydrosorbyl)-3,6-dimethyl-5-hydroxy-1,4-benzoquinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILESC/C=C/CCC(=O)C1=C(C)C(=O)C(=O)C(C)=C1O
InChIInChI=1S/C14H16O4/c1-4-5-6-7-10(15)11-8(2)13(17)14(18)9(3)12(11)16/h4-5,16H,6-7H2,1-3H3/b5-4+
InChIKeyAXEZOCXIWCSNHL-SNAWJCMRSA-N
Species of MetaboliteComponentSourceComments
Penicillium terrestre (ncbitaxon:374132) - PubMed (16161481)
ChEBI Ontology
Outgoing Relation(s)
2-(2′, 3′-dihydrosorbyl)-3,6-dimethyl-5-hydroxy-1,4-benzoquinone (CHEBI:216020) is a benzoquinones (CHEBI:22729)
2-(2′, 3′-dihydrosorbyl)-3,6-dimethyl-5-hydroxy-1,4-benzoquinone (CHEBI:216020) is a orthoquinones (CHEBI:25622)
IUPAC Name 
4-[(E)-hex-4-enoyl]-5-hydroxy-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
Manual XrefsDatabases
9992147ChemSpider